Geometry & MOs

Info

ID:	139913
PubChem CID:	52617013
Reduced:	F3O3N4C22H23 (1)
Stoich.:	A3B3C4D22E23 (1)
Weight, g/mol:	464.149382
ΔH_f, kcal/mol:	-180.06
Dipole, Da:	4.67
IP(EA), eV:	-9.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thiophen-3-yl-1-[4-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)[C@H](C)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations